全文获取类型
收费全文 | 104篇 |
免费 | 0篇 |
国内免费 | 1篇 |
专业分类
化学 | 45篇 |
晶体学 | 9篇 |
力学 | 5篇 |
数学 | 24篇 |
物理学 | 22篇 |
出版年
2023年 | 1篇 |
2022年 | 2篇 |
2020年 | 1篇 |
2019年 | 1篇 |
2018年 | 2篇 |
2016年 | 3篇 |
2015年 | 1篇 |
2014年 | 1篇 |
2013年 | 14篇 |
2012年 | 5篇 |
2011年 | 4篇 |
2010年 | 10篇 |
2009年 | 4篇 |
2008年 | 8篇 |
2007年 | 4篇 |
2006年 | 3篇 |
2005年 | 2篇 |
2004年 | 5篇 |
2003年 | 3篇 |
2002年 | 3篇 |
2000年 | 4篇 |
1996年 | 1篇 |
1991年 | 1篇 |
1990年 | 2篇 |
1989年 | 1篇 |
1988年 | 2篇 |
1986年 | 2篇 |
1982年 | 2篇 |
1981年 | 2篇 |
1978年 | 1篇 |
1977年 | 1篇 |
1973年 | 3篇 |
1972年 | 1篇 |
1966年 | 1篇 |
1965年 | 2篇 |
1963年 | 1篇 |
1962年 | 1篇 |
排序方式: 共有105条查询结果,搜索用时 15 毫秒
1.
We have developed bond additivity correction (BAC) procedures for the G3-based quantum chemistry methods, G3B3 and G3MP2B3. We denote these procedures as BAC-G3B3 and BAC-G3MP2B3. We apply the procedures to compounds containing atoms from the first three rows of the periodic table including H, B, C, N, O, F, Al, Si, P, S, and Cl atoms. The BAC procedure applies atomic, molecular, and pairwise bond corrections to theoretical heats of formation of molecules. The BAC-G3B3 and BAC-G3MP2B3 procedures require parameters for each atom type but not for each bond type. These parameters have been obtained by minimizing the error between the BAC-G3B3 and BAC-G3MP2B3 predictions and the experimental heats of formation for a 155 molecule reference set, containing open and closed shell molecules representing various functional groups, multireference configurations, isomers, and degrees of saturation. As compared to former BAC-MP4, BAC-G2, and BAC-hybrid methods, BAC-G3B3 provides better agreement with experiment for a wider range of chemical moieties, including highly oxidized species involving SOx s, NOx s, POx s, and halogens. The BAC-G3B3 and BAC-G3MP2B3 procedures are applied to an extended test suite involving 273 compounds. We assess the overall quality of BAC-G3B3 with experiments and other theoretical approaches. For the reference set, the average error for the BAC-G3B3 results is 0.44 kcal/mol as compared to 0.82 kcal/mol for the raw G3B3. For the extended test set, the average error for the BAC-G3B3 results is 0.91 kcal/mol as compared to 1.38 kcal/mol for the raw G3B3. As compared to the other BAC procedures, the improved predictive capability of BAC-G3B3 and BAC-G3MP2B3 procedures is, to a large extent, due to the improved quality of G3-based methods resulting in much smaller BAC correction terms. 相似文献
2.
3.
T. M. Pramod Kumar H. M. Umesh H. G. Shivakumar Valluru Ravi 《高分子科学杂志,A辑:纯化学与应用化学》2013,50(6):583-589
A series of terbutaline sulphate drug incorporated polyvinyl alcohol (PVA) matrix films were produced by the solvent evaporation method. The effect of xanthan gum and plasticizers (propylene glycol and dibutyl phthalate) on the rate and amount of drug diffusion from PVA membrane across the hydrated cellophane membrane has been evaluated, using an open glass diffusion‐tube. The obtained films were clear, smooth and flexible having sufficient mechanical strength. The mechanical performance of the dry PVA films with xanthan gum and plasticizers were also ascertained. Polyvinyl alcohol‐xanthan gum blends showed a high rate of drug release compared to that of polyvinyl alcohol film alone. Among the two plasticizers employed, propylene glycol showed better permeability. Among different formulations studied, the formulation PVA/xanthan gum/propylene glycol (F7) was found to be an optimized composition for efficient transdermal delivery of the model drug, terbutaline sulphate. The mechanism of drug diffusion has been evaluated using the Peppas model. Stability studies carried out on polymer‐drug formulations revealed that the drug is stable at 40°C and 75% RH for a period of 6 weeks. 相似文献
4.
5.
Nickel–indium telluride schottky barriers have been prepared by sequential evaporation, and their electrical characteristics have been studied. Various diode parameters have been obtained through current-voltage and capacitance-voltage characteristics. An equilibrium energy level diagram for the Ni/p–InTe system has been constructed using the experimental results. 相似文献
6.
A. R. Patel N. C. Pandya N. C. Chourasia G. K. Shivakumar 《Crystal Research and Technology》1982,17(11):1393-1398
The resistance of thin films of silver, copper, indium and aluminium deposited onto clean glass substrates were measured using annealed and unannealed films of chromium-copper alloy as electrodes. The percentage variation in resistance for different metal films differ with annealed and unannealed electrodes. Formation of oxide and alloying at the electrodefilm junction are discussed taking into account the observed variations in resistance. Microscopic observations are also made of the film-electrode junctions. 相似文献
7.
Senoy Thomas D. Sakthikumar Yasuhiko Yoshida M. R. Anantharaman 《Journal of nanoparticle research》2008,10(1):203-206
Sol–gel glasses with Fe3O4 nanoparticles having particle sizes laying in the range 10–20 nm were encapsulated in the porous network of silica resulting
in nanocomposites having both optical and magnetic properties. Spectroscopic and photoluminescence studies indicated that
Fe3O4 nanocrystals are embedded in the silica matrix with no strong Si–O–Fe bonding. The composites exhibited a blue luminescence.
The optical absorption edge of the composites red shifted with increasing concentration of Fe3O4 in the silica matrix. There is no obvious shift in the position of the luminescence peak with the concentration of Fe3O4 except that the intensity of the peak is decreased. The unique combinations of magnetic and optical properties are appealing
for magneto–optical applications. 相似文献
8.
9.
Priyadeep Bhutani Rekha U. Shivakumar H. N. Prabhakar K. Ranjanna Atish T. Paul 《Biomedical chromatography : BMC》2020,34(10):e4902
Garcinia cambogia is one of the most commonly used anti-obesity dietary supplements, and hydroxycitric acid (HCA) is a major constituent in the commercial preparations of Garcinia. High doses of HCA are often consumed without much awareness of its pharmacokinetic and toxicokinetic parameters, and therefore, a complete understanding of its effects is lacking. The first step in understanding these parameters is the availability of a reliable bioanalytical method. Here, we present the first report on a UPLC–MS/MS method for analysis of HCA in rat plasma after a simplified and cost-effective protein precipitation. Chromatographic separation of the analytes in the supernatant was achieved using hydrophilic interaction liquid chromatography, where mass parameters were optimized and a rapid 5-min quantitative assay was developed. The method was highly sensitive, accurate, precise and linear in the concentration range of 10.5–5000 ng/mL (validated according to the United States Food and Drug Administration guidelines). Further, the method was successfully used to describe the pharmacokinetic profile of HCA in rat plasma after the administration of pure HCA and commercial Garcinia preparations. 相似文献
10.